Information card for entry 4072042

Structure parameters

• Formula: C58.5 H87 B N3 O Sc Si2
• Calculated formula: C58.5 H87 B N3 O Sc Si2
• Title of publication: Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes
• Authors of publication: Ge, Shaozhong; Meetsma, Auke; Hessen, Bart
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5339
• a: 13.108 ± 0.004 Å
• b: 14.586 ± 0.004 Å
• c: 15.371 ± 0.004 Å
• α: 78.892 ± 0.004°
• β: 83.362 ± 0.004°
• γ: 81.16 ± 0.005°
• Cell volume: 2838.3 ± 1.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1985
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No